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CAS 26441-05-4 15-KETO PROSTAGLANDIN E2 molecular structure lightbox
CAS RN: 26441-05-4

15-KETO PROSTAGLANDIN E2

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250109 10mg In stock Shanghai Inquiry
Batchno.20260519 1mg In stock Shanghai Inquiry
Batchno.20260223 25mg In stock Shanghai Inquiry
Batchno.20260607 50mg In stock Shanghai Inquiry
Batchno.20250915 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS26441-05-4
  • Purity/Analytical Methods: >99.0%
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26441-05-4 / 7-[3-hydroxy-5-oxo-2-(3-oxooct-1-enyl)cyclopentyl]hept-5-enoic acid

Standard CAS: 26441-05-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26441-05-4
Multi CAS
No
Molecular Formula
C20H30O5
Molecular Weight
350.400000
Exact Mass
350.209324
SMILES
CCCCCC(=O)C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O
InChI
InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)
InChIKey
YRTJDWROBKPZNV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.65
Rotatable bonds
12
H-bond acceptors
4
H-bond donors
2
Molar refractivity
96.14
TPSA
91.67

LogP / Solubility

WLOGP
3.46
MLOGP
3.06
XLogP3
2.7
Consensus LogP
3.07
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.25
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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